SCHEMBL16878232

SCHEMBL16878232

C1CNCCC2NCC2C1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
SLC6A11 P48066 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
SLC6A13 Q9NSD5 1/20 0.31
CXCR4 P61073 1/20 0.30
ALDH1A1 P00352 1/20 0.30
APLNR P35414 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
NOS2 P35228 1/20 0.30
CYP2D6 P10635 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16877919 0.91 MBTD1 (0.33) SLC6A1SMN1; SMN2SLC6A11TSHRLMNA
SCHEMBL18207614 0.87
SCHEMBL13857080 0.83
SCHEMBL10594 0.81 EPAS1 (0.33) SLC6A1SMN1; SMN2SLC6A11TSHRLMNA
Hydrochloric Acid SCHEMBL28169201 0.79 EPAS1 (0.32) SLC6A1SMN1; SMN2SLC6A11TSHRLMNA
SCHEMBL20121932 0.79 CXCR4 (0.31) SMN1; SMN2CXCR4ALDH1A1
SCHEMBL15036548 0.78
SCHEMBL23330094 0.77
SCHEMBL1545668 0.77
SCHEMBL1830183 0.76

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326157-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-10 US disclosed
WO-2015103583-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-07-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160326157-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE MGAM, BPGM, MRPL21 SLC6A1 2771/4885SMN1; SMN2 3006/4885SLC6A11 3027/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.